SCHEMBL6906802

SCHEMBL6906802

CCOc1ccc(F)c(C2CC2NC(=O)Nc2ccc(Cl)cn2)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.48
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
MAPT P10636 3/20 0.48
TP53 P04637 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
FPR1 P21462 1/20 0.47
FPR2 P25090 1/20 0.47
L3MBTL1 Q9Y468 4/20 0.43
LMNA P02545 2/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 2/20 0.41
ALDH1A1 P00352 2/20 0.39
PTK2 Q05397 1/20 0.39
MAPK1 P28482 2/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6906796 1.00 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL6903793 1.00 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL6905018 0.92 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL6905976 0.92 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL6906732 0.89 RAB9A (0.43) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL6906734 0.89 RAB9A (0.43) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL9030656 0.88 RAB9A (0.49) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL6908195 0.88 RAB9A (0.49) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL6908592 0.87 FPR1 (0.45) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL6903832 0.84 FPR1 (0.33) SMN1; SMN2RAB9ANPC1MAPTTP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040116418-A1 Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 2004-06-17 US disclosed
US-20020132794-A1 Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB 2002-09-19 US disclosed
US-6376492-B1 GUANIDINE DERIVATIVES MEDIVIR AB (SE) 2002-04-23 US disclosed
US-5849769-A N-arylalkyl-N-heteroarylurea and guandine compounds and methods of treating HIV infection MEDIVIR AB (SE) 1998-12-15 US disclosed
EP-0706514-B1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1998-11-18 EP disclosed
EP-0706514-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1996-04-17 EP disclosed
WO-1995006034-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1995-03-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020132794-A1 Compounds and methods for inhibition of HIV and related viruses POLRMT, POLM, POLR1E SMN1; SMN2 4248/4885RAB9A 3313/4885NPC1 1253/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.